2,3-dihydrofuran-2-yl prop-2-enoate;oxolane

C11H16O4 — CID 175163345

IUPAC2,3-dihydrofuran-2-yl prop-2-enoate;oxolane
SMILESC1CCOC1.C=CC(=O)OC1CC=CO1
InChIInChI=1S/C7H8O3.C4H8O/c1-2-6(8)10-7-4-3-5-9-7;1-2-4-5-3-1/h2-3,5,7H,1,4H2;1-4H2
InChIKeyBFWADKNNBPELQY-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.77
Rot. Bonds2

About 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane

2,3-dihydrofuran-2-yl prop-2-enoate;oxolane (PubChem CID 175163345) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane.

Molecular Properties

Compound Name2,3-dihydrofuran-2-yl prop-2-enoate;oxolane
PubChem CID175163345
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name2,3-dihydrofuran-2-yl prop-2-enoate;oxolane
SMILESC1CCOC1.C=CC(=O)OC1CC=CO1
InChIInChI=1S/C7H8O3.C4H8O/c1-2-6(8)10-7-4-3-5-9-7;1-2-4-5-3-1/h2-3,5,7H,1,4H2;1-4H2
InChIKeyBFWADKNNBPELQY-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydrofuran-2-yl prop-2-enoate
CID 141705749
1-But-3-enoxybutyl prop-2-enoate
CID 175006010
1-Prop-2-enoyloxybut-3-enyl prop-2-enoate
CID 175962743

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane?
The IUPAC name of 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane (CID 175163345) is 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane.
What is the SMILES notation for 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane?
The canonical SMILES for 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane is C1CCOC1.C=CC(=O)OC1CC=CO1.
What is the InChIKey of 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane?
The InChIKey is BFWADKNNBPELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C4H8O/c1-2-6(8)10-7-4-3-5-9-7;1-2-4-5-3-1/h2-3,5,7H,1,4H2;1-4H2.
What are the key properties of 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane?
2,3-dihydrofuran-2-yl prop-2-enoate;oxolane has a molecular weight of 212.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-2-yl prop-2-enoate;oxolane is sourced from PubChem (CID 175163345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).